4-(3,5-dichlorophenyl)-1-iodopiperidine

C11H12Cl2IN — CID 143698401

IUPAC4-(3,5-dichlorophenyl)-1-iodopiperidine
SMILESClc1cc(Cl)cc(C2CCN(I)CC2)c1
InChIInChI=1S/C11H12Cl2IN/c12-10-5-9(6-11(13)7-10)8-1-3-15(14)4-2-8/h5-8H,1-4H2
InChIKeyJEHDRULRIOUUAO-UHFFFAOYSA-N
MW356.03 g/mol
LogP4.52
Rot. Bonds1

About 4-(3,5-dichlorophenyl)-1-iodopiperidine

4-(3,5-dichlorophenyl)-1-iodopiperidine (PubChem CID 143698401) has the molecular formula C11H12Cl2IN and a molecular weight of 356.03 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-1-iodopiperidine.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-1-iodopiperidine
PubChem CID143698401
Molecular FormulaC11H12Cl2IN
Molecular Weight356.03 g/mol
Exact Mass354.94
IUPAC Name4-(3,5-dichlorophenyl)-1-iodopiperidine
SMILESClc1cc(Cl)cc(C2CCN(I)CC2)c1
InChIInChI=1S/C11H12Cl2IN/c12-10-5-9(6-11(13)7-10)8-1-3-15(14)4-2-8/h5-8H,1-4H2
InChIKeyJEHDRULRIOUUAO-UHFFFAOYSA-N
XLogP4.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.03
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-1-iodopiperidine?
The IUPAC name of 4-(3,5-dichlorophenyl)-1-iodopiperidine (CID 143698401) is 4-(3,5-dichlorophenyl)-1-iodopiperidine.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-1-iodopiperidine?
The canonical SMILES for 4-(3,5-dichlorophenyl)-1-iodopiperidine is Clc1cc(Cl)cc(C2CCN(I)CC2)c1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-1-iodopiperidine?
The InChIKey is JEHDRULRIOUUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2IN/c12-10-5-9(6-11(13)7-10)8-1-3-15(14)4-2-8/h5-8H,1-4H2.
What are the key properties of 4-(3,5-dichlorophenyl)-1-iodopiperidine?
4-(3,5-dichlorophenyl)-1-iodopiperidine has a molecular weight of 356.03 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-1-iodopiperidine is sourced from PubChem (CID 143698401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).